[Gausssum-help] Calculation of Density of States
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From: Himadri De <him...@gm...> - 2010-02-02 13:59:27
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Dear Help, I need to calculate the DOS spectrum for a few molecules using deMon2K code. I can always generate the MO energies out of the code. This code is entirely written in Python which I am not familiar with. If you can please tell me about generating the DOS spectrum out of a deMon2K code, or just the MO eigenvalues, it will be of much help to my research work. Regards, Himadri De |